Geometry & MOs

Info

ID:	41895
PubChem CID:	8147674
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	368.179659
ΔH_f, kcal/mol:	44.28
Dipole, Da:	9.7
IP(EA), eV:	-8.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-methyl-1-phenylpropyl]-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C=CN(C3=S)C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations